1-Phenyl-1,3,3-trimethylindan

Base Information

• Chemical Name: 1-Phenyl-1,3,3-trimethylindan
• CAS No.: 3910-35-8
• Molecular Formula: C18H20
• Molecular Weight: 236.357
• Hs Code.: 2902909090
• European Community (EC) Number: 223-467-4
• NSC Number: 55135,11311
• UNII: T7TE1607F0
• DSSTox Substance ID: DTXSID20863290
• Nikkaji Number: J117.145C
• Wikidata: Q27289781
• Mol file: 3910-35-8.mol

Synonyms:3910-35-8;1,1,3-trimethyl-3-phenyl-2,3-dihydro-1H-indene;1-Phenyl-1,3,3-trimethylindan;1,3,3-Trimethyl-1-phenylindane;1,1,3-trimethyl-3-phenyl-2H-indene;1,1,3-Trimethyl-3-phenylindan;1,3,3-Trimethyl-1-phenylindan;1,1,3-Trimethyl-3-phenylindane;Indan, 1,1,3-trimethyl-3-phenyl-;1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-;1-PHENYL-1,3,3-TRIMETHYLINDANE;2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene;NSC 11311;NSC 55135;UNII-T7TE1607F0;T7TE1607F0;EINECS 223-467-4;NSC-11311;NSC-55135;1,3-Trimethyl-1-phenylindan;1,3-Trimethyl-3-phenylindan;1-Phenyl-1,3-trimethylindan;1,3-Trimethyl-3-phenylindane;1-Phenyl-1,3-trimethylindane;Indan,1,3-trimethyl-3-phenyl-;2,1,3-trimethyl-3-phenyl-1H-indene;1H-Indene,3-dihydro-1,1,3-trimethyl-3-phenyl-;1,1,-Trimethyl-3-phenylindane;DTXSID20863290;NSC11311;NSC55135;MFCD00021240;AKOS004907823;DS-5463;1,1,3 - trimethyl - 3 - phenylindan;CS-0153798;D71010;2,3-dihydro-3-phenyl-1,1,3-trimethyl-1H-indene;A873718;W-108993;Q27289781

Chemical Property of 1-Phenyl-1,3,3-trimethylindan

Chemical Property:

• Vapor Pressure: 0.00123mmHg at 25°C
• Melting Point: 52.5°C
• Refractive Index: 1.554
• Boiling Point: 308.5 °C at 760 mmHg
• Flash Point: 156.5 °C
• PSA: 0.00000
• Density: 0.987 g/cm³
• LogP: 4.67390
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Dichloromethane; Ethyl Acetate
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 236.156500638
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

1-PHENYL-1,3,3-TRIMETHYLINDAN AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)C
• Uses: 1,1,3-Trimethyl-3-phenylindan is an intermediate in the synthesis of OctaInd (O237100). OctaInd is a commercial brominated flame retardant (BFR) used in styrenic and engineering thermoplastics.

Technology Process of 1-Phenyl-1,3,3-trimethylindan

There total 75 articles about 1-Phenyl-1,3,3-trimethylindan which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.1%

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 1,1,3-trimethyl-3-phenylindane (3910-35-8) + 2,4-diphenyl-4-methyl-pent-1-ene (6362-80-7) + 4-methyl-2,4-diphenylpent-2-ene (22768-22-5,22768-23-6,6258-73-7)

Guidance literature:

thiol-modified Al-loaded mesoporous silica; In toluene; at 120 ℃; for 2h;

DOI:10.1039/b610444d

Reference yield: 62.0%

1-methyl-1-phenylethyl alcohol (617-94-7) → 1,1,3-trimethyl-3-phenylindane (3910-35-8) + 2,4-diphenyl-4-methyl-pent-1-ene (6362-80-7) + 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)-3-phenyl-2,3-dihydro-1H-indene (68305-40-8)

Guidance literature:

With iron(III) chloride; 1,1,1,3',3',3'-hexafluoro-propanol; nitric acid; at 20 ℃; for 3h; Catalytic behavior;

DOI:10.1021/acs.joc.9b02109

Reference yield:

2-nitropropane (79-46-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Isopropylbenzene (98-82-8) + 1,1,3-trimethylindene (2177-45-9) + 1,1,3-trimethyl-3-phenylindane (3910-35-8) + 2,2-diphenylpropane (778-22-3) + 3,3,3',3'-tetramethyl-1,1'-spiro-biindane (32507-26-9,58343-29-6) + 1',3,3,3',3'-pentamethyl-1-(1'-indanyl-methylene)-indane (13864-90-9)

Guidance literature:

With aluminium trichloride; Product distribution; Mechanism; 2 h, room temp., 55 deg C, various periods of time;

DOI:10.1016/S0040-4020(01)92438-X

upstream raw materials:

1-methyl-1-phenylethyl alcohol

2-hydroxy-2-methyl-4.4-diphenyl-pentane

isopropenylbenzene

trimethylaluminum

Downstream raw materials:

5-amino-1-(4'-aminophenyl)-1,3,3-trimethylindane

6-amino-1-(4'-aminophenyl)-1,3,3-trimethylindane

1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene

1,3,3-trimethyl-6-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene

Refernces

• 1、 Fujiwara,Kuraoka,Yazawa,Xu,Tanaka,Souma. "Preparation of an MCM-41/nafionρ composite material; a selective catalyst for α-methylstyrene dimerization". . p. 1523 - 1524. Retrieved 2000.
• 2、 Hojo, Masaru,Ichi, Tadaaki,Shibato, Kishio. "Synthesis and Structure of a New Stable Carbocation Stabilized by Two Neighboring Sulfur Atoms. Dimethyl-9,9-bis(methylthio)-1-fluorenylcarbenium Ion". . p. 1478 - 1482. Retrieved 1985.
• 3、 Barton,Pepper. "". . p. 1573,1574. Retrieved 1964.
• 4、 Akiyama, Toshiki,Arisawa, Mitsuiro,Harada, Kazuo,Honma, Tetsuo,Naka, Hiroshi,Saito, Susumu,Wada, Yuki. "Preparation of a platinum nanoparticle catalyst located near photocatalyst titanium oxide and its catalytic activity to convert benzyl alcohols to the corresponding ethers". . p. 22230 - 22237. Retrieved 2021/07/02.
• 5、 Chang, Meng-Yang,Tsai, Yu-Lin. "Samarium triflate-catalyzed dimerization of vinylarenes". . p. 200 - 211. Retrieved 2020/02/13.